[2-(cyclohexylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate

C19H25FN2O6S — CID 3302367

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)NC1CCCCC1
InChIInChI=1S/C19H25FN2O6S/c20-16-7-6-14(12-17(16)29(25,26)22-8-10-27-11-9-22)19(24)28-13-18(23)21-15-4-2-1-3-5-15/h6-7,12,15H,1-5,8-11,13H2,(H,21,23)
InChIKeyFEPOPJUMEOMZLX-UHFFFAOYSA-N
MW428.48 g/mol
LogP1.45
Rot. Bonds6

About [2-(cyclohexylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate

[2-(cyclohexylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate (PubChem CID 3302367) has the molecular formula C19H25FN2O6S and a molecular weight of 428.48 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
PubChem CID3302367
Molecular FormulaC19H25FN2O6S
Molecular Weight428.48 g/mol
Exact Mass428.14
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)NC1CCCCC1
InChIInChI=1S/C19H25FN2O6S/c20-16-7-6-14(12-17(16)29(25,26)22-8-10-27-11-9-22)19(24)28-13-18(23)21-15-4-2-1-3-5-15/h6-7,12,15H,1-5,8-11,13H2,(H,21,23)
InChIKeyFEPOPJUMEOMZLX-UHFFFAOYSA-N
XLogP1.45
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate (CID 3302367) is [2-(cyclohexylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate is O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is FEPOPJUMEOMZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O6S/c20-16-7-6-14(12-17(16)29(25,26)22-8-10-27-11-9-22)19(24)28-13-18(23)21-15-4-2-1-3-5-15/h6-7,12,15H,1-5,8-11,13H2,(H,21,23).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
[2-(cyclohexylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 428.48 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 3302367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).